IBS-ZINC02267227
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.1150    1.6640    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200    0.5460   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5460   -0.0440   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460    0.4600    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950    1.5840    1.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770    2.1770    1.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2160    3.2740    2.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710   -0.2950    1.5360 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640   -0.2450   -0.2110 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620   -0.9740    0.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880   -0.9410   -1.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2380    1.1810   -0.4540 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8890   -1.1310   -0.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0640    2.1320    0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2880    0.1380   -1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4970    1.9860    2.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840    3.5440    2.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830   -1.1030   -1.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 13 18  1  0  0  0  0
M  CHG  1  12  -1
M  END